TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 269.259 | Formula: C13H11N5O2
H donors: 2 H acceptors: 4 LogP: 1.24 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C(=O)Nc1ncnc2c1nc[nH]2
InChi: 1S/C13H11N5O2/c1-20-9-5-3-2-4-8(9)13(19)18-12-10-11(15-6-14-10)16-7-17-12/h2-7H,1H3,(H2,14,15,16,17,18,19)
InChiKey: CNDXLAFAEBTXJF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain containing 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Entamoeba histolytica	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Giardia lamblia	Kinase, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Entamoeba histolytica	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Onchocerca volvulus		Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Brugia malayi	hypothetical protein	Get druggable targets OG5_126719	All targets in OG5_126719
Echinococcus granulosus	bromodomain containing 2	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Entamoeba histolytica	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Loa Loa (eye worm)	bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Neospora caninum	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Candida albicans	two potential bromodomain protein similar to S. cerevisiae transcription regulator BDF1	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Toxoplasma gondii	bromodomain-containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Echinococcus multilocularis	bromodomain containing 2	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma mansoni	bromodomain-containing protein 3 brd3	Get druggable targets OG5_126719	All targets in OG5_126719
Schistosoma japonicum	ko:K08871 bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Echinococcus multilocularis	Bromodomain containing protein	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_126719	All targets in OG5_126719
Candida albicans	two potential bromodomain protein similar to S. cerevisiae transcription regulator BDF1	Get druggable targets OG5_126719	All targets in OG5_126719

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	ctsf protein	0.015	0.3492	0.2507
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0339	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Brugia malayi	Cathepsin L-like precursor	0.015	0.3492	0.2636
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0103	0.1903	0.0839
Brugia malayi	Bromodomain containing protein	0.0086	0.1315	0.0173
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0339	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.015	0.3492	1
Onchocerca volvulus		0.015	0.3492	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0143	0.3256	0.2369
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.1903	0.545
Leishmania major	cathepsin L-like protease	0.0257	0.7175	1
Leishmania major	cathepsin L-like protease	0.015	0.3492	0.1586
Schistosoma mansoni	cathepsin F (C01 family)	0.015	0.3492	0.2636
Toxoplasma gondii	cathepsin CPL	0.015	0.3492	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0053	0.0196	0.0562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Onchocerca volvulus		0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.015	0.3492	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.7175	0.6803
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0129	0.2798	0.1851
Plasmodium vivax	vivapain-2	0.015	0.3492	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.015	0.3492	0.2507
Loa Loa (eye worm)	hypothetical protein	0.0339	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0339	1	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1903	0.0678
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.7175	0.6803
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0129	0.2798	0.2721
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Giardia lamblia	Cathepsin B precursor	0.0129	0.2798	0.5
Brugia malayi	Cathepsin L-like precursor	0.0103	0.1903	0.0839
Echinococcus granulosus	cathepsin L cysteine proteinase	0.015	0.3492	0.2636
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Giardia lamblia	Cathepsin B precursor	0.0129	0.2798	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0103	0.1903	0.3182
Leishmania major	cathepsin L-like protease	0.015	0.3492	0.1586
Echinococcus multilocularis	cysteine protease	0.015	0.3492	0.2636
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0053	0.0196	0.0562
Brugia malayi	Bromodomain containing protein	0.0086	0.1315	0.0173
Loa Loa (eye worm)	cathepsin B	0.0129	0.2798	0.1708
Loa Loa (eye worm)	fibroinase	0.015	0.3492	0.2507
Echinococcus granulosus	cathepsin l cysteine peptidase	0.015	0.3492	0.2636
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.1903	0.545
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0196	0.0562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0086	0.1315	0.3765
Loa Loa (eye worm)	hypothetical protein	0.015	0.3492	0.2507
Trypanosoma cruzi	cysteine peptidase, putative	0.015	0.3492	0.2636
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0129	0.2798	0.8013
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.015	0.3492	0.2507
Leishmania major	cathepsin L-like protease	0.015	0.3492	0.1586
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Brugia malayi	Cathepsin L-like precursor	0.0103	0.1903	0.0839
Echinococcus multilocularis	cathepsin L cysteine protease	0.015	0.3492	0.2636
Giardia lamblia	Cathepsin B precursor	0.0129	0.2798	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.015	0.3492	0.2636
Brugia malayi	Cathepsin L-like precursor	0.015	0.3492	0.2636
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0129	0.2798	0.1851
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Onchocerca volvulus		0.015	0.3492	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.015	0.3492	0.2636
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0211	0.5586	0.5006
Plasmodium falciparum	cysteine proteinase falcipain 3	0.015	0.3492	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0339	1	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1903	0.0678
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.015	0.3492	0.2636
Schistosoma mansoni	cathepsin F (C01 family)	0.0103	0.1903	0.0839
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Loa Loa (eye worm)	cysteine protease	0.015	0.3492	0.2507
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Echinococcus multilocularis	bromodomain containing 2	0.0086	0.1315	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.015	0.3492	1
Brugia malayi	Cathepsin L-like precursor	0.015	0.3492	0.2636
Echinococcus granulosus	bromodomain containing 2	0.0086	0.1315	0.0173
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0339	1	1
Leishmania major	cathepsin L-like protease	0.0257	0.7175	1
Brugia malayi	Cathepsin L-like precursor	0.015	0.3492	0.2636
Brugia malayi	cathepsin L-like precursor	0.0103	0.1903	0.0839
Echinococcus granulosus	cathepsin b	0.0339	1	1
Echinococcus granulosus	cathepsin l1	0.015	0.3492	0.2636
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0053	0.0196	0.0562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1903	0.0678
Leishmania major	cysteine peptidase A (CPA)	0.015	0.3492	0.1586
Trypanosoma cruzi	cruzipain precursor, putative	0.0257	0.7175	0.6803
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.7175	0.6803
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0086	0.1315	0.3765
Onchocerca volvulus		0.015	0.3492	1
Brugia malayi	Cathepsin L-like precursor	0.015	0.3492	0.2636
Onchocerca volvulus	Cathepsin F homolog	0.015	0.3492	1
Brugia malayi	Papain family cysteine protease containing protein	0.015	0.3492	0.2636
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Entamoeba histolytica	cysteine proteinase, putative	0.015	0.3492	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.1162	0.3327
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Leishmania major	cathepsin L-like protease	0.0257	0.7175	1
Trichomonas vaginalis	bromodomain containing protein, putative	0.0053	0.0196	0.0562
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Echinococcus multilocularis	cysteine protease	0.015	0.3492	0.2636
Entamoeba histolytica	cysteine protease, putative	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Leishmania major	cathepsin L-like protease	0.015	0.3492	0.1586
Echinococcus multilocularis	cathepsin b	0.0339	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Onchocerca volvulus		0.015	0.3492	1
Onchocerca volvulus		0.015	0.3492	1
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.0086	0.1315	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.1162	0.3327
Onchocerca volvulus	Cathepsin L homolog	0.015	0.3492	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.015	0.3492	0.2636
Plasmodium vivax	vivapain-2	0.015	0.3492	1
Onchocerca volvulus	Cathepsin L homolog	0.015	0.3492	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.7175	1
Onchocerca volvulus		0.015	0.3492	1
Echinococcus granulosus	cathepsin l1	0.0103	0.1903	0.0839
Leishmania major	cathepsin L-like protease	0.015	0.3492	0.1586
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.015	0.3492	1
Echinococcus multilocularis	cathepsin b	0.0339	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.015	0.3492	1
Brugia malayi	Cathepsin L-like precursor	0.015	0.3492	0.2636
Echinococcus granulosus	cathepsin b	0.0339	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16 uM	Inhibition of BRD4 bromodomain-1 (unknown origin) by europium based LANCE TR-FRET assay	ChEMBL.	25678016

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL3398339

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1923427